Heteroatom-based diradical (oid) s
Heteroatom-centered diradical (oid) s have been in the focus of molecular main group
chemistry for nearly 30 years. During this time, the diradical concept has evolved and the …
chemistry for nearly 30 years. During this time, the diradical concept has evolved and the …
Spin–phonon coupling and magnetic relaxation in single-molecule magnets
Electron–phonon coupling is important in many physical phenomena, eg photosynthesis,
catalysis and quantum information processing, but its impacts are difficult to grasp on the …
catalysis and quantum information processing, but its impacts are difficult to grasp on the …
Electron spin resonance of single iron phthalocyanine molecules and role of their non-localized spins in magnetic interactions
Electron spin resonance (ESR) spectroscopy is a crucial tool, through spin labelling, in
investigations of the chemical structure of materials and of the electronic structure of …
investigations of the chemical structure of materials and of the electronic structure of …
Quantum information and algorithms for correlated quantum matter
Discoveries in quantum materials, which are characterized by the strongly quantum-
mechanical nature of electrons and atoms, have revealed exotic properties that arise from …
mechanical nature of electrons and atoms, have revealed exotic properties that arise from …
Do diradicals behave like radicals?
This review sets out to understand the reactivity of diradicals and how that may differ from
monoradicals. In the first part of the review, we delineate the electronic structure of a …
monoradicals. In the first part of the review, we delineate the electronic structure of a …
Molecular magnetism, quo vadis? A historical perspective from a coordination chemist viewpoint☆
J Ferrando-Soria, J Vallejo, M Castellano… - Coordination Chemistry …, 2017 - Elsevier
Molecular magnetism has travelled a long way from the pioneering studies on electron
exchange and double exchange or spin crossover and valence tautomerism in small …
exchange and double exchange or spin crossover and valence tautomerism in small …
The spectroscopy of nitrogenases
Nitrogenases are responsible for biological nitrogen fixation, a crucial step in the
biogeochemical nitrogen cycle. These enzymes utilize a two-component protein system and …
biogeochemical nitrogen cycle. These enzymes utilize a two-component protein system and …
First principles approach to the electronic structure, magnetic anisotropy and spin relaxation in mononuclear 3d-transition metal single molecule magnets
M Atanasov, D Aravena, E Suturina, E Bill… - Coordination Chemistry …, 2015 - Elsevier
In this review, a self-contained (although brief) introduction to electronic structure
calculations for single molecule magnet (SMM) properties is provided in conjunction with …
calculations for single molecule magnet (SMM) properties is provided in conjunction with …
Conjugated nitroxides
EV Tretyakov, VI Ovcharenko… - Russian Chemical …, 2022 - iopscience.iop.org
In recent years, research dealing with organic paramagnetic compounds such as stable
radicals and high-spin systems has been focused on applied aspects. Several key trends …
radicals and high-spin systems has been focused on applied aspects. Several key trends …
Luminescent Organic Triplet Diradicals as Optically Addressable Molecular Qubits
Optical-spin interfaces that enable the photoinitialization, coherent microwave manipulation,
and optical read-out of ground state spins have been studied extensively in solid-state …
and optical read-out of ground state spins have been studied extensively in solid-state …